dimethyl 5-[2-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxyethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyloxyethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(2-chloro-5-methylsulfanyl-benzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[[2-chloro-5-(methylthio)phenyl]-oxomethoxy]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(2-chloro-5-methylsulfanylbenzoyl)oxyacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[2-chloro-5-(methylthio)benzoyl]oxyacetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H18ClNO7S MolecularWeight: 451.87742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl)C(=O)OC

InChI

InChI=1S/C20H18ClNO7S/c1-27-18(24)11-6-12(19(25)28-2)8-13(7-11)22-17(23)10-29-20(26)15-9-14(30-3)4-5-16(15)21/h4-9H,10H2,1-3H3,(H,22,23)